pyridin-1-ium-1-carboxamide iodide

C6H7IN2O — CID 22402685

IUPACpyridin-1-ium-1-carboxamide iodide
SMILESNC(=O)[n+]1ccccc1.[I-]
InChIInChI=1S/C6H6N2O.HI/c7-6(9)8-4-2-1-3-5-8;/h1-5H,(H-,7,9);1H
InChIKeyNFVRCUKIAANUTB-UHFFFAOYSA-N
MW250.04 g/mol
LogP-3.10
Rot. Bonds

About pyridin-1-ium-1-carboxamide iodide

pyridin-1-ium-1-carboxamide iodide (PubChem CID 22402685) has the molecular formula C6H7IN2O and a molecular weight of 250.04 g/mol. Its IUPAC name is pyridin-1-ium-1-carboxamide iodide.

Molecular Properties

Compound Namepyridin-1-ium-1-carboxamide iodide
PubChem CID22402685
Molecular FormulaC6H7IN2O
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Namepyridin-1-ium-1-carboxamide iodide
SMILESNC(=O)[n+]1ccccc1.[I-]
InChIInChI=1S/C6H6N2O.HI/c7-6(9)8-4-2-1-3-5-8;/h1-5H,(H-,7,9);1H
InChIKeyNFVRCUKIAANUTB-UHFFFAOYSA-N
XLogP-3.10
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 5-3.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium-1-carboxamide iodide?
The IUPAC name of pyridin-1-ium-1-carboxamide iodide (CID 22402685) is pyridin-1-ium-1-carboxamide iodide.
What is the SMILES notation for pyridin-1-ium-1-carboxamide iodide?
The canonical SMILES for pyridin-1-ium-1-carboxamide iodide is NC(=O)[n+]1ccccc1.[I-].
What is the InChIKey of pyridin-1-ium-1-carboxamide iodide?
The InChIKey is NFVRCUKIAANUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.HI/c7-6(9)8-4-2-1-3-5-8;/h1-5H,(H-,7,9);1H.
What are the key properties of pyridin-1-ium-1-carboxamide iodide?
pyridin-1-ium-1-carboxamide iodide has a molecular weight of 250.04 g/mol, XLogP of -3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium-1-carboxamide iodide is sourced from PubChem (CID 22402685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).